Fig. 1: Calculated spectral functions.
Total and orbital-resolved spectral function of La0.8Ba0.2NiO2 along a high-symmetry line as calculated within ab initio LQSGW+DMFT at T=300K. Of the two bands crossing the Fermi level, the lower energy band shows Ni-\({d}_{{x}^{2}-{y}^{2}}\) character, and the other, self-doping band at higher energy is a mixture of La-\({d}_{{z}^{2}}\), Ni-\({d}_{{z}^{2}}\), La-dxy and Ni-pz.
